N-[2-[(3-bromophenyl)methyl-cyclopropyl-amino]-2-oxidanylidene-ethyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-[(3-bromophenyl)methyl-cyclopropyl-amino]-2-oxidanylidene-ethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[(3-bromophenyl)methyl-cyclopropyl-amino]-2-oxo-ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[(3-bromophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[(3-bromophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[(3-bromobenzyl)-cyclopropyl-amino]-2-keto-ethyl]-3,4,5-trimethoxy-benzamide Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N(CC2=CC(=CC=C2)Br)C3CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N(CC2=CC(=CC=C2)Br)C3CC3

InChI

InChI=1S/C22H25BrN2O5/c1-28-18-10-15(11-19(29-2)21(18)30-3)22(27)24-12-20(26)25(17-7-8-17)13-14-5-4-6-16(23)9-14/h4-6,9-11,17H,7-8,12-13H2,1-3H3,(H,24,27)